[(1R)-1-cyanoethyl] 4-[(4-tert-butylphenoxy)methyl]benzoate

Systemtic Name: [(1R)-1-cyanoethyl] 4-[(4-tert-butylphenoxy)methyl]benzoate Openeye Name: [(1R)-1-cyanoethyl] 4-[(4-tert-butylphenoxy)methyl]benzoate CAS Name: 4-[(4-tert-butylphenoxy)methyl]benzoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 4-[(4-tert-butylphenoxy)methyl]benzoate Traditional Name: 4-[(4-tert-butylphenoxy)methyl]benzoic acid [(1R)-1-cyanoethyl] ester Formula: C21H23NO3 MolecularWeight: 337.41222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)C1=CC=C(C=C1)COC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

C[C@H](C#N)OC(=O)C1=CC=C(C=C1)COC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C21H23NO3/c1-15(13-22)25-20(23)17-7-5-16(6-8-17)14-24-19-11-9-18(10-12-19)21(2,3)4/h5-12,15H,14H2,1-4H3/t15-/m1/s1